CID 53427052

91904-71-1

Structural Information

Molecular Formula
C13H20N2OS2
SMILES
CCCCN1CCCC1=C2C(=O)N(C(=S)S2)CC
InChI
InChI=1S/C13H20N2OS2/c1-3-5-8-14-9-6-7-10(14)11-12(16)15(4-2)13(17)18-11/h3-9H2,1-2H3
InChIKey
BJMYCYFLFIEAFO-UHFFFAOYSA-N
Compound name
5-(1-butylpyrrolidin-2-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1017 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10898 167.2
[M+Na]+ 307.09092 175.7
[M-H]- 283.09442 171.2
[M+NH4]+ 302.13552 185.6
[M+K]+ 323.06486 170.6
[M+H-H2O]+ 267.09896 161.7
[M+HCOO]- 329.09990 175.6
[M+CH3COO]- 343.11555 197.8
[M+Na-2H]- 305.07637 159.0
[M]+ 284.10115 167.7
[M]- 284.10225 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.